CID 291785

32867-65-5

Structural Information

Molecular Formula

C₉H₁₂O₂S

SMILES

CC1=CC(=CC(=C1O)CO)SC

InChI

InChI=1S/C9H12O2S/c1-6-3-8(12-2)4-7(5-10)9(6)11/h3-4,10-11H,5H2,1-2H3

InChIKey

KXBVWXBKFNILQH-UHFFFAOYSA-N

Compound name

2-(hydroxymethyl)-6-methyl-4-methylsulfanylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 184.0558 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	185.06308	137.9
[M+Na]+	207.04502	150.3
[M+NH4]+	202.08962	146.6
[M+K]+	223.01896	142.5
[M-H]-	183.04852	139.6
[M+Na-2H]-	205.03047	143.0
[M]+	184.05525	140.6
[M]-	184.05635	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe